4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C23H23N3O3S — CID 20972051

IUPAC4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1
InChIInChI=1S/C23H23N3O3S/c1-26-22-9-4-3-8-21(22)24-23(26)15-10-17-6-5-7-18(16-17)25-30(27,28)20-13-11-19(29-2)12-14-20/h3-9,11-14,16,25H,10,15H2,1-2H3
InChIKeyWPKSAUAWAOVZIQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.17
Rot. Bonds7

About 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972051) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972051
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1
InChIInChI=1S/C23H23N3O3S/c1-26-22-9-4-3-8-21(22)24-23(26)15-10-17-6-5-7-18(16-17)25-30(27,28)20-13-11-19(29-2)12-14-20/h3-9,11-14,16,25H,10,15H2,1-2H3
InChIKeyWPKSAUAWAOVZIQ-UHFFFAOYSA-N
XLogP4.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379452
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379362
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972051) is 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is WPKSAUAWAOVZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-26-22-9-4-3-8-21(22)24-23(26)15-10-17-6-5-7-18(16-17)25-30(27,28)20-13-11-19(29-2)12-14-20/h3-9,11-14,16,25H,10,15H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).